SCHEMBL4098830

SCHEMBL4098830

CNC(=N)NCCCOC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
EPHX2 P34913 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APOBEC3G Q9HC16 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4108954 0.89 ALDH1A1 (0.56) ALDH1A1GAATSHRRECQLKDM4E
SCHEMBL4101101 0.86
SCHEMBL4099116 0.79 TSHR (0.42) ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL4103973 0.79 MEN1 (0.37) ALDH1A1GAARECQLKDM4EMAPT
SCHEMBL4093535 0.79 MEN1 (0.37) ALDH1A1GAARECQLKDM4EMAPT
SCHEMBL4101369 0.78 ALDH1A1 (0.46) ALDH1A1GAATSHRRECQLKDM4E
SCHEMBL4104968 0.78 TSHR (0.43) ALDH1A1GAATSHRRECQLMAPT
SCHEMBL4103946 0.78 EPHX2 (0.36) ALDH1A1GAATSHRRECQLMAPT
SCHEMBL28660544 0.77 ALDH1A1 (0.44) ALDH1A1GAATSHRRECQLKDM4E
SCHEMBL4093922 0.76 MAPT (0.42) TSHRRECQLMAPTEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA ALDH1A1 1963/4885GAA 4688/4885TSHR 1694/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885GAA 3613/4885TSHR 3766/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885GAA 4099/4885TSHR 3770/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT ALDH1A1 1610/4885GAA 1616/4885TSHR 1691/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.